Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diethylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2151647 | 0.90 | HTR6 (0.39) | MEN1KMT2AHTR6SIGMAR1CHRM5 | |
| Hydrochloric Acid SCHEMBL2151722 | 0.89 | HTR6 (0.38) | MEN1KMT2AHTR6SIGMAR1CHRM5 | |
| SCHEMBL2009518 | 0.79 | HTR6 (0.38) | MEN1KMT2AHTR6SIGMAR1CHRM5 | |
| Hydrochloric Acid SCHEMBL3696745 | 0.78 | HTR6 (0.37) | MEN1KMT2AHTR6SIGMAR1CHRM5 | |
| SCHEMBL7316779 | 0.62 | SLC6A1 (0.32) | MEN1KMT2A | |
| SCHEMBL16058143 | 0.62 | SLC6A1 (0.32) | MEN1KMT2A | |
| Acetic Acid SCHEMBL11275843 | 0.62 | MEN1 (0.47) | MEN1KMT2ASIGMAR1KDM4EALDH1A1 | |
| Bicarbonate SCHEMBL19689366 | 0.61 | L3MBTL3 (0.50) | MEN1KMT2AKDM4EALDH1A1 | |
| Bicarbonate SCHEMBL11101479 | 0.61 | L3MBTL3 (0.50) | MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL2012120 | 0.61 | L3MBTL3 (0.31) | HTR6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2340029-A2 | MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | Enanta Pharmaceuticals, Inc. (US) | 2011-07-06 | — | — | EP | disclosed |
| WO-2010030359-A2 | MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARJMACEUTICALS, INC. (US) | 2010-03-18 | — | — | WO | disclosed |